SCHEMBL19048005

SCHEMBL19048005

NC1CCN(CCOc2ccc3[nH]c(=O)oc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.63
MAOB P27338 5/20 0.48
KCNH2 Q12809 1/20 0.46
ACHE P22303 3/20 0.46
BCHE P06276 1/20 0.46
LTA4H P09960 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
DRD2 P14416 1/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7402955 0.84 MAOB (0.70) KDM1AMAOBACHEBCHEGRIN1
SCHEMBL22066546 0.78 KDM1A (1.00) KDM1A
SCHEMBL19026225 0.78 KDM1A (1.00) KDM1A
SCHEMBL17260660 0.76 NFE2L2 (0.48) KDM1A
SCHEMBL17260692 0.75 CA12 (0.56) KDM1AMAOBKCNH2
SCHEMBL23097685 0.75 KCNH2 (0.57) KCNH2DRD2
SCHEMBL23097701 0.75 KCNH2 (0.70) KCNH2DRD2HRH2HRH1HRH3
SCHEMBL7398686 0.75 MAOB (0.67) KDM1AMAOBACHEBCHEGRIN1
SCHEMBL31335061 0.74 SMYD3 (0.46) KDM1AKCNH2SMYD3GRIN1GRIN2D
SCHEMBL11093117 0.73 DRD2 (0.68) MAOBKCNH2ACHEDRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-20170183308-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170183308-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A KDM1A 2/4885MAOB 461/4885KCNH2 2724/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.